Iron in PDB 3tlk: Crystal Structure of Holo Fepb

The structure of Crystal Structure of Holo Fepb, PDB code: 3tlk was solved by N.Li, L.Gu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.31 / 1.85
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	74.024, 131.591, 196.113, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 21.7

The binding sites of Iron atom in the Crystal Structure of Holo Fepb (pdb code 3tlk). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Holo Fepb, PDB code: 3tlk:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Holo Fepb


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Holo Fepb within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe327 b:15.2 occ:1.00 O5 A:EB4328 2.1 17.6 1.0 O6 A:EB4328 2.1 14.0 1.0 O1 A:EB4328 2.1 16.6 1.0 O3 A:EB4328 2.1 14.6 1.0 O2 A:EB4328 2.1 14.0 1.0 O4 A:EB4328 2.2 18.0 1.0 C5 A:EB4328 2.9 16.1 1.0 C1 A:EB4328 2.9 15.8 1.0 C4 A:EB4328 2.9 16.4 1.0 C2 A:EB4328 2.9 16.0 1.0 C6 A:EB4328 2.9 15.8 1.0 C3 A:EB4328 2.9 14.6 1.0 N A:GLY126 3.9 18.1 1.0 NH2 A:ARG301 3.9 15.8 1.0 O C:HOH331 4.0 22.0 1.0 CZ A:PHE300 4.2 15.0 1.0 C7 A:EB4328 4.2 16.2 1.0 C16 A:EB4328 4.3 15.7 1.0 NH2 A:ARG242 4.3 16.4 1.0 C1 A:DIO329 4.3 16.1 1.0 C17 A:EB4328 4.3 17.7 1.0 C8 A:EB4328 4.3 14.9 1.0 C18 A:EB4328 4.3 16.0 1.0 NH1 A:ARG242 4.4 14.1 1.0 C9 A:EB4328 4.4 12.6 1.0 CA A:GLY126 4.4 17.8 1.0 N2 A:EB4328 4.6 16.5 1.0 N3 A:EB4328 4.6 14.2 1.0 N1 A:EB4328 4.7 14.4 1.0 C1' A:DIO329 4.7 16.8 1.0 CZ A:ARG242 4.8 15.2 1.0 C A:GLY125 4.9 20.8 1.0 CE2 A:PHE300 4.9 15.9 1.0 CA A:GLY125 4.9 18.8 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Holo Fepb


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Holo Fepb within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe327 b:16.5 occ:1.00 O5 B:EB4328 2.0 17.6 1.0 O6 B:EB4328 2.1 16.1 1.0 O2 B:EB4328 2.1 18.6 1.0 O1 B:EB4328 2.1 19.4 1.0 O4 B:EB4328 2.1 15.2 1.0 O3 B:EB4328 2.2 16.5 1.0 C5 B:EB4328 2.9 15.7 1.0 C6 B:EB4328 2.9 14.9 1.0 C2 B:EB4328 2.9 16.6 1.0 C4 B:EB4328 2.9 17.1 1.0 C1 B:EB4328 2.9 18.0 1.0 C3 B:EB4328 2.9 13.7 1.0 N B:GLY126 3.9 18.5 1.0 NH2 B:ARG301 4.0 16.5 1.0 O B:HOH375 4.1 21.6 1.0 CZ B:PHE300 4.2 14.7 1.0 C7 B:EB4328 4.3 18.8 1.0 NH1 B:ARG242 4.3 14.5 1.0 C17 B:EB4328 4.3 15.9 1.0 C1' B:DIO329 4.3 17.1 1.0 C8 B:EB4328 4.3 20.2 1.0 C16 B:EB4328 4.3 17.2 1.0 C18 B:EB4328 4.4 14.2 1.0 C9 B:EB4328 4.4 16.4 1.0 NH2 B:ARG242 4.4 16.8 1.0 CA B:GLY126 4.4 19.2 1.0 N2 B:EB4328 4.6 16.0 1.0 N1 B:EB4328 4.6 18.2 1.0 C1 B:DIO329 4.7 17.5 1.0 N3 B:EB4328 4.7 17.6 1.0 CE2 B:PHE300 4.9 17.8 1.0 CZ B:ARG242 4.9 18.4 1.0 C B:GLY125 4.9 22.4 1.0 CA B:GLY125 4.9 21.2 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Holo Fepb


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Holo Fepb within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe330 b:37.5 occ:1.00 O3 A:EB4330 2.2 32.0 1.0 O4 A:EB4330 2.2 34.7 1.0 O1 A:EB4330 2.2 27.4 1.0 O2 A:EB4330 2.3 29.1 1.0 O6 A:EB4330 2.3 33.6 1.0 O5 A:EB4330 2.5 38.3 1.0 C4 A:EB4330 3.0 35.5 1.0 C1 A:EB4330 3.0 28.2 1.0 C3 A:EB4330 3.0 31.1 1.0 C6 A:EB4330 3.1 31.0 1.0 C2 A:EB4330 3.2 31.2 1.0 C5 A:EB4330 3.3 35.2 1.0 O A:HOH462 3.6 35.7 1.0 O A:HOH444 4.1 31.2 1.0 O A:HOH343 4.1 28.9 1.0 C7 A:EB4330 4.4 32.5 1.0 C16 A:EB4330 4.4 29.2 1.0 C18 A:EB4330 4.4 27.0 1.0 C9 A:EB4330 4.6 31.4 1.0 C17 A:EB4330 4.6 27.4 1.0 N2 A:EB4330 4.6 23.4 1.0 N1 A:EB4330 4.7 25.5 1.0 O C:HOH414 4.7 34.2 1.0 C8 A:EB4330 4.7 31.3 1.0 N3 A:EB4330 4.8 25.0 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Holo Fepb


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Holo Fepb within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe327 b:17.1 occ:1.00 O5 C:EB4328 2.1 18.1 1.0 O6 C:EB4328 2.1 15.2 1.0 O4 C:EB4328 2.1 19.5 1.0 O3 C:EB4328 2.1 16.5 1.0 O1 C:EB4328 2.1 16.4 1.0 O2 C:EB4328 2.2 17.0 1.0 C5 C:EB4328 2.9 16.7 1.0 C6 C:EB4328 2.9 16.1 1.0 C4 C:EB4328 2.9 17.8 1.0 C3 C:EB4328 2.9 14.6 1.0 C1 C:EB4328 2.9 17.9 1.0 C2 C:EB4328 2.9 18.7 1.0 NH2 C:ARG301 3.9 16.0 1.0 N C:GLY126 3.9 21.2 1.0 O C:HOH377 4.0 20.0 1.0 CZ C:PHE300 4.2 14.1 1.0 NH1 C:ARG242 4.3 17.0 1.0 C7 C:EB4328 4.3 19.4 1.0 C1' C:DIO329 4.3 15.2 1.0 C18 C:EB4328 4.3 15.2 1.0 C16 C:EB4328 4.3 19.8 1.0 C8 C:EB4328 4.3 19.9 1.0 C17 C:EB4328 4.3 19.6 1.0 NH2 C:ARG242 4.4 16.2 1.0 C9 C:EB4328 4.4 15.7 1.0 CA C:GLY126 4.4 20.0 1.0 C1 C:DIO329 4.6 14.9 1.0 N2 C:EB4328 4.6 17.3 1.0 N1 C:EB4328 4.6 16.9 1.0 N3 C:EB4328 4.7 14.1 1.0 CZ C:ARG242 4.8 17.7 1.0 CE2 C:PHE300 4.9 15.6 1.0 C C:GLY125 4.9 24.3 1.0 CA C:GLY125 5.0 23.6 1.0

N.Li, L.Gu. Crystal Structure of Holo Fepb To Be Published.